| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:11 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO7 |
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| Molecular Mass | 305.0536 |
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| SMILES | O=C(O)CC(NC(=O)c1cc2ccccc2oc1=O)C(=O)O |
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| InChI Key | FBKCKKKNMZYMMG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalpha amino acidsbenzenoidscarbonyl compoundscarboxylic acidscoumarins and derivativesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acid1-benzopyranlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesbenzopyrann-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupcoumarinoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyranaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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